UCSF

ZINC06051153

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2006 28 No

Popular Name: butyl 2-chloro-5-{[(5-cyano-1,4-dimethyl-2,6-dioxo-1,6-dihydro-3(2H)-pyridinylidene)methyl]amino}benzoate butyl 2-chloro-5-{[(5-cyano-1,4-…

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Other Names:

MFCD01178672

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.45 10.09 -26.87 1 7 0 101 401.85 7 ↓
Ref Reference (pH 7) 3.45 10.25 -24.09 1 7 0 101 401.85 7 ↓
Hi High (pH 8-9.5) 3.97 9.05 -36.28 0 7 -1 108 400.842 7 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.